SCHEMBL17484487

SCHEMBL17484487

c1cc2nonc2cc1CNC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.42
KCNH2 Q12809 2/20 0.42
PKM P14618 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
PIM1 P11309 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
RPS6KA5 O75582 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37
RPS6KA1 Q15418 1/20 0.37
AKT3 Q9Y243 1/20 0.37
EP300 Q09472 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL18280055 0.77 GBA1 (0.47) KCNJ1KCNH2PKMHRH3NR3C1
SCHEMBL22092986 0.74 CHKA (0.47) KCNH2HRH3PIM1RAB9APOLB
SCHEMBL5765301 0.73 KCNJ1 (0.48) KCNJ1KCNH2HRH3ALDH1A1ALOX15
SCHEMBL3633900 0.73 KDM1A (0.48) HRH3PRMT5WDR77MEN1RAB9A
SCHEMBL4980744 0.73 PRMT5 (0.64) KCNH2HRH3PIM1CSNK2A2CSNK2B
SCHEMBL14020819 0.72 KDM1A (0.51) KCNH2ALDH1A1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5764095 0.72 KCNJ1 (0.47) KCNJ1KCNH2PKMHRH3ALDH1A1
SCHEMBL1007347 0.72 SLC6A4 (0.56) KCNH2
SCHEMBL14095877 0.71 KMT2A (0.46) KCNJ1KCNH2PKMMEN1KMT2A
Hydrochloric Acid SCHEMBL6307335 0.71 CYP3A4 (0.56) ALDH1A1TSHRMAPK1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KCNJ1 2963/4885KCNH2 3637/4885PKM 3361/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.